gentoo resync : 20.06.2021

17 files changed, 68 insertions, 1476 deletions

diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index 7b186967c586..5970caa3d8c2 100644
--- a/sci-chemistry/Manifest.gz
+++ b/sci-chemistry/Manifest.gz
diff --git a/sci-chemistry/autodock_vina/Manifest b/sci-chemistry/autodock_vina/Manifest
index d97143eb4ea6..4aa7ee3a38fc 100644
--- a/sci-chemistry/autodock_vina/Manifest
+++ b/sci-chemistry/autodock_vina/Manifest
@@ -2,5 +2,5 @@ AUX 1.1.2-gentoo.patch 2448 BLAKE2B f63add1d0fec8716672672af78fe8f34053bf060044e
 AUX autodock_vina-1.1.2-boost-filesystem.patch 2936 BLAKE2B 70c55e95e9728221ba80177989fde0cc6c93b479779aa0dda45dcad79b97018fe934ea56b4ede4af20ce867b6ed39c3958a5529b8f286aec33ec7ea53d339ada SHA512 4226fb0d7196362a02afa4e0b0616146ef816a439dd63e1bffbfef183975fe7e6260318f919e9d9835d2d47973542b5340e93ad35b070467e42c0990f9a635f7
 AUX autodock_vina-1.1.2-missing-debug-decl.patch 365 BLAKE2B 959b46facdce27850a1f9fd6c66ecc297e4ad089e79896b9fe2127e425bd1bfcfce5d676cf2e4336c47d3a72b0e8319c791fdf1a5807f244cf5b4528de8cbb25 SHA512 ddbdca76fca16b46fd042b57eb941b7ba67f59f46c35dc18428ea6873c8ed5f03051247b8c667a08af8de40fccb0caf851848bb9082536225cacf8eb3e313c98
 DIST autodock_vina_1_1_2.tgz 67366 BLAKE2B dc754bf522795ebfbfcf89a2df4e3761d941c1f0ce05cf56898720c1e855f5dd00fd2a583f5a8d218fa2e738d37e014a9b3239b9aa989b9018a6a33f8f0bd02c SHA512 f704af322ebc192117c49d0cf8a3f217105beccb7b47d6361665470894ef7a9f91fc4b5f07cc9aff56e497bfa80953e40e39090c8394a095c61597756e333ae9
-EBUILD autodock_vina-1.1.2.ebuild 948 BLAKE2B 4f5bd4de05bd0ad3839df02a8eceb845ac6d87128ebb841f9281a189deb648fc5e542fb0a4f9d6175150c55217eb9fe5aaa42b0f477edb17848f4da099afe565 SHA512 72c931a124bb5532baa934b55e146c859aec7fb5ae8803a2f52b3103adc126a3f4a1d0ee0552974c6aec5a7e13a25976f0a28e2d09711fa840b89c76d3666de8
+EBUILD autodock_vina-1.1.2-r1.ebuild 951 BLAKE2B 5b7805c212b019aca0be53fe329a1a8dcb423d8e6c2516256aa37417a991b57349c0567c9cc4a4da8e31651fee0e2cc370e6ee481ae9e160c901dd44c4158b1e SHA512 2d332538c9cf9d8b6ad2f742edfb83c27f97d18bf4da23afa4d99648b4839aafc836e9b624f7508de097d3bd682b5057159e5cde3bf4234f3d326d1a5326b211
 MISC metadata.xml 1244 BLAKE2B 7df9f6f260c038c4f6b02a9fe35b54dbdc165975373ece6fb27856893536b3af7218ca1ff487ba908caa8c9beea43dc3f503fc83b6cf685754b8f17e53d771a9 SHA512 121a82bab7f4126fe5afe4ad39bbc9e397483c485e8a5771129d8eff883e87248acb1d689d47a57bf792ea8e1e23e82dec9bde811dae44e9b86a6736944c3484
diff --git a/sci-chemistry/autodock_vina/autodock_vina-1.1.2.ebuild b/sci-chemistry/autodock_vina/autodock_vina-1.1.2-r1.ebuild
index 19a6a106be73..a1782463270a 100644
--- a/sci-chemistry/autodock_vina/autodock_vina-1.1.2.ebuild
+++ b/sci-chemistry/autodock_vina/autodock_vina-1.1.2-r1.ebuild
@@ -16,7 +16,7 @@ SLOT="0"
 KEYWORDS="amd64 x86"
 IUSE="debug"
 
-RDEPEND="dev-libs/boost:=[threads]"
+RDEPEND="dev-libs/boost:=[threads(+)]"
 DEPEND="${RDEPEND}"
 
 S="${WORKDIR}"/${MY_P}/build/linux/release
diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index c312d16a2714..e64b097b41a1 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -1,5 +1,5 @@
 AUX dssp-2.1.0-gentoo.patch 1513 BLAKE2B aabdcfff1083d7552392c35897eb8a84b07323c89dfdce014f4401b2e82e727e9fbc77dd3f7e6d5efda61a6e64fad905873516e5336f21627bda1f2f39caf5c2 SHA512 7d192019811a6892031c74e14ef9fc7461e77c050a164698f8c72cff08f81a0e6da202e0915b631a5cd6d910a6114a736c706d47b1fd6474ff77c3700efcd9f9
 AUX dssp-2.2.1-boost-1.65-tr1-removal.patch 2126 BLAKE2B dc59d21a6be26ee96b636c13645163478999d5122f09d3a72963843be773210ea225e374941bd057ef6f083a13fb77980bd4390174df2a0c715f0386da7232e0 SHA512 8f84c6e163888d6a8192683a6555f7d6003634854f5cde0f6f962744e531165c7e0b2b08c55cbfb9c396d167c44317dd2e7a8290e4defd2c8def0a6511fbbd6c
 DIST dssp-2.2.1.tgz 47141 BLAKE2B 34d8b2db8797a8c23763766c0214337f03584c4be52c1bc820a0df0db6a5f78ac0229aafdd47a60b8fd6f4832abf0399663c53f9e898c75f08ecbe22b141c8da SHA512 4a273714d6b3230daea166caa7f4117d5ccb225bea0cf1bc2eb61539b6cc8e227d0ba19047d61f0ad0d1d6bc2efdec9c193bd44341e15ef0950acb4a22498811
-EBUILD dssp-2.2.1-r1.ebuild 962 BLAKE2B 9db1a6eef5401ec278be424e3712765426ad1680bde4fe36d8afbcabe3a02e1020d31ad06c36e28e30e311651fdcba7359c977562dc18397ad51c338b3231794 SHA512 9488695b51ddfea2127b3b7e02e36095f494ba20f14eeb81b5ab9b6dd4a47bdaae6b517a6f27ad49af75202080f6fa511ea8efdd3aca8a7eee6fe8b7b31ec501
+EBUILD dssp-2.2.1-r2.ebuild 962 BLAKE2B 4badf2ae8647aab9c5e359d9e0763d051388afe3bf5763c8eeb99cb21b30283d72ace619f1b65c5ee248c42f8264cb31c2c1c079f75eacda1568cc4352cec5e3 SHA512 4a599b6e7cd068175bd89f4ea948ad1267df783c240ab46d3c6109bf3f2853de714ecf1e5776722309688599f28af545287fe5cb98d8b7a5f46d319df953b926
 MISC metadata.xml 271 BLAKE2B a446884cbe7a6789e0bcd82759f57bf1ab7b29c5ab714057ffa821c90f799d1fa9f9310c187ee4c3a8ae2476f6ea9d15f368045779f1581e68d02802c61c884c SHA512 3e6e6047a29e07123b81279cae1de17bc4bd4c3d7d8a8d26560114a18185f473d038fc220fa81c7213fa203ce197bad8b1c272d9b7e41cd770a953fa6308ff92
diff --git a/sci-chemistry/dssp/dssp-2.2.1-r1.ebuild b/sci-chemistry/dssp/dssp-2.2.1-r2.ebuild
index b660e9ef3c96..63075d4d4290 100644
--- a/sci-chemistry/dssp/dssp-2.2.1-r1.ebuild
+++ b/sci-chemistry/dssp/dssp-2.2.1-r2.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2017 Gentoo Foundation
+# Copyright 1999-2021 Gentoo Authors
 # Distributed under the terms of the GNU General Public License v2
 
 EAPI=6
@@ -14,7 +14,7 @@ SLOT="0"
 KEYWORDS="amd64 x86 ~amd64-linux ~x86-linux"
 IUSE=""
 
-RDEPEND="dev-libs/boost:=[threads]"
+RDEPEND="dev-libs/boost:=[threads(+)]"
 DEPEND="${RDEPEND}"
 
 PATCHES=(
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index 70b33b6727dc..1a2e29194577 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -3,36 +3,23 @@ AUX gromacs-2021-nblib.patch 1860 BLAKE2B 3f9d8e5683fee23434ca7bd0d9264eaed5834c
 DIST gromacs-2018.8.tar.gz 29913703 BLAKE2B 8780032305928067fbfe1559efe9eedc4d47e27ab2f6ab54d6dba39edfcbeefbee4673d8910009048a850620b5a08ba8feb622db652c439cfa50a149ec5f0015 SHA512 6717895942f2ab7b54019511ed2aebadadde8e96d3c4b7414bb9168ffe418432d2dee330192e199f7b9d2f665c71f5d4f1ef0911aa7243d525a2ca182ef5b122
 DIST gromacs-2019.6.tar.gz 33446147 BLAKE2B adc21fb6b841b06d499607f8c0166a673645ef5af0b40bd823d0fff5ea24397e6301c5e1e0070986ae1ce1deba8a42052b66da148b071c1e21f2fe3908fee275 SHA512 7c227a9539e5775d5d128ae9e872a24181d79cdcd2852b86453597987e8d7332ecec371da65d089f6e610c54aafbccc8824ce298743383dd6240719ebee692a8
 DIST gromacs-2020.4.tar.gz 29149899 BLAKE2B a07c8efd96137d58c1edf4ac9b5aafeb16d9e65234b9459b71471827032654acacb58ed6ae87ec6e0e593a0acd799683cc4461b06cc883b089d740708619345e SHA512 0c56f058741af70660baf0177724ec940dd984c05ea141ede91ee51ce3744f76d00e31bdb5db907e46fa1639de5dca637b3ace26e89f908c2e74c69f0c21ed3a
-DIST gromacs-2020.5.tar.gz 29148909 BLAKE2B ea439ae95d4af67a77d53182f7ddab702799edab8527c1b6ad20625d21a81f3e3c0cc699fa0b656625bffcca0bdd5a1e104aea4f592ee2db92b4f1a460ad0e80 SHA512 fe38fda36d31aef5ce01a3dbc29c9f50d3cc05b20bb34a9a8f10fda5aecde4f93ca8a3f85433139e1bb88fc23d77916a4aff5a292abaa528bd0e6138e84cba18
 DIST gromacs-2020.6.tar.gz 29196621 BLAKE2B b350fc62fd8eeb3f2b042fa74a4ed42e43a7b74efd8fddb60ec086a814048a52b8625da65fa5c4cf2cb1e22f8347562bc84d38bf34441fc5ebc6abaa38b0eea0 SHA512 4ce4d6b9ae33e9cd2a1ad3313e80acf63ded21dac897b01dbf87df2e318181796ef64c8a1d3e0a6058b972d8d88d00f710cd0277db12f38fc2c9b29772c98bea
-DIST gromacs-2021.1.tar.gz 37971732 BLAKE2B 722a3c21afd9d5ad432b601c99a2d5ebb85012479851d52517559bc113d75424e7509f417fb74f5f935ae6614e01a31e7361e7e673c966964fd73f08621c8415 SHA512 7f9104a3df8aa808940fd380653e43ae716167df717687717d67ddd556a29acc6ba7c2e78ff9b920b145eb521998645bee0b3816438b1398374b6b7a1831513e
 DIST gromacs-2021.2.tar.gz 37976386 BLAKE2B 8818321bbcbdee25356bbf909d9c667f9d7cf180e696a323a61017683234d1269decc8f8d72b8012a8cc207f69e5cd97e2ab48dbbff06d82bbb407bc0578854b SHA512 51b1728f41932274436ab807d569109e2b0e145abcb5cf9c9b7daf6a7396f2f8716dc28fb93cf178c97a7eaeab2a88878d0bc71dd6c6abe7e829d579e7968615
-DIST gromacs-2021.tar.gz 35061679 BLAKE2B a7d8bd728480455e5c069392e3921a4f788802ec164ee24241cac9bc7c555cee07ef26853efa61e40a787fa87e6d20af35d56b98ac6a3757ef07fc4176679e19 SHA512 10d9d64b3c2329613a18d861589428841f55bede45e1800aec25246258209be1385aabaa0d5b52425c0ac21804c38b401db76448bb539ff3cf25f8b94e09575c
 DIST manual-2018.8.pdf 10025023 BLAKE2B afb0a6e6a72d78df743fcb57e7c1716848589e571dd35167b957a9b407ca27978ccfb6cb9e0df9c9439b888f352501a00ba32281ed1e0b4193bd606f1d77152e SHA512 b1972f7ce965bfc9377542993c5943ea4868a8ed23a969d4203264746d6bea3a7a65c6379196ece37fd6d68ec7ec80f827bde87d1049284af7082759a124f1d5
 DIST manual-2019.6.pdf 12702376 BLAKE2B c350127bc06a9eb3dee73da39037c84daeb89500e23cb131bd19a150bf60602d4dde7611e0c6f0f344af4093e96a899303dac71b4df56fd0c44c3a48a56606b7 SHA512 dfdff67c2c1c9ce1f1c236b7686c5331b0fe86951da6c98eddd6a3e748815e0be0a9653ae4318469fcdd913c4e7c355d64a997cc80b9d9fbe6282ef6d98e61eb
 DIST manual-2020.4.pdf 11851608 BLAKE2B 7b7bdf08e8946fcc448543b08391b94a67fee60a8c810597c1f09f70443f9d7db817c99622dd0c21c6317f5fdcd6c4a88589ecac57055cb0cd8597d6021026e7 SHA512 928555663c77de36393e625c29d388d4e1c8c1298e7a993d871839e0d4d8d18d190221ad8f1d975bd072bdd6a061e9ea5b9295f2ecf45f24b6523ea5ea290fed
-DIST manual-2020.5.pdf 11850797 BLAKE2B b605de81cce385177f278b563526725688b4c2b0326f6f2c22bddc9b455c016365ee82731ad0ef2b2c9522e7d140c4a097b7a25f91552be60741d876bcc4c929 SHA512 0fa81494dbb4cb71c274fa1d1b1ef13bc5be8e69be841d429d06d5e9ef5517158b2130c0120ef6de13e73de5cd8af941c7b983ddba1da8af8214272704ce629e
 DIST manual-2020.6.pdf 11850850 BLAKE2B 155e4eb9c200dcd0a38e3669b26077fcf310d437b82d9a593d333dada3989c2c8a936d62c642e195f98bb474b1673b8142405c467348fc96a74d57fb12106d76 SHA512 be508ebec597b82a2c4056029f8bb731b22cb8902628a45462ed21af54c554d28e07d5381efaaa96565202b7b47d33aea67950206cd9e8936211ae721b21b3e1
-DIST manual-2021.1.pdf 12252366 BLAKE2B c3f104f3a5c8b784b78bdb027ae3bf818977fd86e15b81760877423805d74f468417df6ad57b240d138f4ee4c567c2e7676c0084911ee1400ebfa7bab2673901 SHA512 8d4468da400abb39c307b1f31f5b4b4ae52152df1fb5bc7059a37072cd2a20136858d7280ea6a7138fe6c18e04821386d72f1ac4ee9a303e359e1d52b5250f12
 DIST manual-2021.2.pdf 12252501 BLAKE2B 0dbf9024e1516076b0eeb46e41523b966d1d81f57504fe0501c7bc8575e74fb19e3452ac584757e425bcccbc737367fe83be87fd21a4287f4675cf87184b960b SHA512 14156d3b1017990e0be3ceb7ec055777a1aec4c347ac2e821a042d51c931f84ebca862f60644a90ed7ba4070cb14ff8babcde3e4351e4dbec84df8563e350984
-DIST manual-2021.pdf 12251377 BLAKE2B 6b3c80fedf04b3cdc05ec9b52e0dd78c0c7abf2d9819c00ad29e1d7e2dd829cfc0e61c86c899859ac6af6b631f856737810f05f9c903456805b5b9c9c6c85c16 SHA512 1bd61e4d052ebe4ff293be710159f135013d38f1299557d0b0e5edcf60d288d8534694896a1feebe572f52187f85e890e59b7c71644a0c03bd264cfae6d348bc
 DIST regressiontests-2018.8.tar.gz 67855469 BLAKE2B 34c9b339f6229f483afbb5192ee6ba8b8f72d5c26907a853af9c53dfece0d88739e48f6b44b78d1c010f988f9385d077285300522164f533a5861e9dda879275 SHA512 3642389d27bd1942cd0f091c940ae97b197b94856a387fe581dc516b0d4169480f16551d4ba357f9282b3337d605c286d51dd38112ac87c826dda634904836bb
 DIST regressiontests-2019.6.tar.gz 67643195 BLAKE2B 1e054e24b187946f7ea28090d4f20cf8e1d79a26253f57ba07d130e0773d8541b8a1552a38023d31a68ce8bc62d8e0af1d98609234bb3e7d3e6d567307ebb386 SHA512 eacf1c55b982515a305c29459fe80a7cd558a8481e5689962aa956148af542568b1d1ce59c6784ecb0afd4768c2b664afa21e12af2d89ae2b06b1ba61ad72036
 DIST regressiontests-2020.4.tar.gz 48542144 BLAKE2B 1dcde67525d40ababa74d9e8ba2dd3fdef1de7d1018491e102edd71d3a622925f213b5a0812e5448882b4cb5fb578317e8e5029bdc4bd53008aa8441a3d9dea1 SHA512 7c71f36a1cef22562f14dcd233e90ad2fe370ae1a7d3b5268727259b374e12d4754253735ac8745d3738bdbc1cc2067780fda5e393be2ff264f632fe4e0c1978
-DIST regressiontests-2020.5.tar.gz 48541167 BLAKE2B 81f0505090203c970178ca4eba8dfd54d942a20970525cad954833481cd79141fa33fc97e8940ca83cee104ef6b017bc0f7bbed9eddc620a86c818760b3fc261 SHA512 aba67542ed00145cae8de040e4a9074a8a359a529135180e6083b2330934962302349d382d6626bddc6971ae6d44e09c8ea44d5df55ca5fcd038055a1c3e5cc3
 DIST regressiontests-2020.6.tar.gz 48541232 BLAKE2B dbb405bd9168775984de8c9fb9e3fa2398d2790e2e4de23711c51a01dc3ea570d172a35d4924742ad5eda463eb0a885e6924512801e82b241600ceaefd5db70d SHA512 497a9e7d438b0b7b0734a97cf3683baf480ecc056e96b09f1e143c362ff047a4e51e323216750501c954559579716dc024d3c51319bd2c85fa719466ce4330b2
-DIST regressiontests-2021.1.tar.gz 48516304 BLAKE2B 61e49e7a3ce0856cd22a6adc360f476bd4978650e21ad64074d3cd8db1d6109fb86cb91bcb161d00d1e912cf3fa40dd83c07e5cc873dc2177a11d7fb304e7ecc SHA512 c1158b7890e2ff94c6600e531fdceee439f19ee2d18093b8be68fbd18064aae4b035c697ebda4e9b74d61c68d905c26515a41c34a2ac9f8dd8a29c5348ecbab1
 DIST regressiontests-2021.2.tar.gz 48514312 BLAKE2B 81b007d5e5e1d054349c73dc8bc3589db328752e48a66687c0ad36be87ebe580df9cbd93b193a724669bd5765af06ec306f2e12af00a228af616de03943d6f05 SHA512 b687ddfd3dc6ec1051af2a3253633703ef1c82335d1df23379819ea47e44dfcd417e81e29610cc584d4c5fb1ee1cbc76731a3fd31b529d8cdd0b9c22f432c7ec
-DIST regressiontests-2021.tar.gz 48513192 BLAKE2B e27898ef3936495fce111c8debdafbdaafae07cd9b27c8591cc27695f681fddda34f083d427e5b3afd2f318ff41201eabc915025f1fddef61ae29ceb13f37557 SHA512 e33578d32b929d516614592d0bf4aac4e518cc4f18fee4048d5b73b11f4373494c6d8aa43442e4e2be632c12c058657bce1064be82c515787d57b449c1241e48
 EBUILD gromacs-2018.8.ebuild 6943 BLAKE2B bd0a58000cf2c669bc4871f2f68d06b4ef7b4e40ef4a35ce306854fd1ebcdf99baed53199bc803b4fda40124226a1093168bf6fe262e27b9086bede6004db0ce SHA512 df2193024fec30dff1a9e87774267f93f46c1636893a4eb65d50ebe7314cf6cc39eee94c9b252247b40508cea2cbcbc6749681ce16c3ce461f0b2545e0418926
 EBUILD gromacs-2019.6.ebuild 7264 BLAKE2B 6196f750a81562c82f1004ba3e4be05193aa9100de0d5a917df242c1287989e83992a5574812f332639c95fc009b860fcfd4b563b5e5148dfa650ce82e861f5b SHA512 ac84483eeb66765b7ae0e5489d5c3b8d293dca6108b79dfcdc35674e033af1a487d0db0bcfc7ad1158fd3ae3aedef236a6549f8ade85483ef6dfb8309cccb05a
-EBUILD gromacs-2020.4.ebuild 10102 BLAKE2B a2a35b56f765dfaff9062cd4c4462350ee8981206d36c99b623c8d46e62fbd26ce7da9e66a8515378b4766dc99848716fbb50596046a49a5991ea96833be7957 SHA512 f0899a4b589591e0bc9c7ecbdde1b9199d0eda39e93066701f613ae57be408825cbe6c96a828de883978b54b3ef9a8d0b9453867a58cdb3266ad51bfb0f525fb
-EBUILD gromacs-2020.5.ebuild 10105 BLAKE2B 1f1caecdbae2f5fff63e152d84165129c86a3e79e21c0ce464fad9dc0fecffa61267d8af3377ba7d8ba7b2b8b159fe1a716d05eb5254c04dd4fd745387b73faa SHA512 cd566b5bf64c1b3fb2e506ce84530613b0a82d8dcf1e0b85e7287b7c946fb509a010e0214161a2ef18ec923eb0fb6d04f2d4e1b4daa048a5f6bc2462fc68c52e
-EBUILD gromacs-2020.6.ebuild 10105 BLAKE2B 1f1caecdbae2f5fff63e152d84165129c86a3e79e21c0ce464fad9dc0fecffa61267d8af3377ba7d8ba7b2b8b159fe1a716d05eb5254c04dd4fd745387b73faa SHA512 cd566b5bf64c1b3fb2e506ce84530613b0a82d8dcf1e0b85e7287b7c946fb509a010e0214161a2ef18ec923eb0fb6d04f2d4e1b4daa048a5f6bc2462fc68c52e
-EBUILD gromacs-2020.9999.ebuild 10105 BLAKE2B 1f1caecdbae2f5fff63e152d84165129c86a3e79e21c0ce464fad9dc0fecffa61267d8af3377ba7d8ba7b2b8b159fe1a716d05eb5254c04dd4fd745387b73faa SHA512 cd566b5bf64c1b3fb2e506ce84530613b0a82d8dcf1e0b85e7287b7c946fb509a010e0214161a2ef18ec923eb0fb6d04f2d4e1b4daa048a5f6bc2462fc68c52e
-EBUILD gromacs-2021.1.ebuild 10317 BLAKE2B 578f747981f9857b00543b0fda21189f43ede3e771b5017994cebfd51a7dd807361761adb56bca08b6b3e297e38712ce70e3b327373e8d52cc6e0ce062166287 SHA512 0d2d2e5a0cc0cb7932cbbe7ce091857340432cd864dc4a830959630a34dc46ef8361815854f10c585d2f862e11088cc2c335c5e70419610b64d81055e7654e9c
-EBUILD gromacs-2021.2.ebuild 10327 BLAKE2B 935f1635adb43e43f8f9d159826b43028a3c70bf70e26af5c5754a77401a177f2ed39834ce9cf6425d82a01ccf7193f4fe612ddfb3b728f079cd1a9cd882fd5f SHA512 47f930b93eb292d9194f8dedca487b3fda6ebbab2e5c3f320f9569d244deec8bff4fef27934cd21ec162f021571e48f6e9abded8719479a1220e18488a457360
-EBUILD gromacs-2021.9999.ebuild 10237 BLAKE2B 346372007800569bdf4517f9b710c71d7b5717e6dba1e7ea992027fb743c42ff94638eac40ae28fe4b51ff1fae27f89d320f7c44186d3ef01f8798d3533e8091 SHA512 d123afdfcc7a13a56babf650e2476e003790b705a9e59aa67cf98fd4a690a1969bb0b60e9b1ee5615edacbe49a880be722c4870c89b43f9ba814e716455dc8ba
-EBUILD gromacs-2021.ebuild 10278 BLAKE2B c17da5a50ddd0b6e4b93779d59185fbe57d4b3bfec80a52a857eb53f86d2fcb6a1b7f63782d558e4a3eb8f3c7a54d75f73c4bd0036472272109fe1d6d6781c30 SHA512 80745295416d0e8e8c739da20aaff54bf2dca88d7b5dc8a800c1d334b7579ef7b85421388c0121acf2e0b3a43bed16545e65b8fc30f4618b5cfc18d8c81e4c7d
-EBUILD gromacs-9999.ebuild 9932 BLAKE2B 45040b96ec2454338a1085048ef3b9c22a18b20167993de547b0f0226124bdb4be9b8b6acc19a998373d8438ea10a4e1e364c46f10def7e84b2d0542807b7e30 SHA512 a926a895411c07f18262f8f4a785028551ad5d1b1644429b112be5c1d9f14a830f07de7a0acff11582093fb0ee33c4122b67ce96e568736f76d11f20f7b6665a
+EBUILD gromacs-2020.4.ebuild 10142 BLAKE2B 67561d5feb49c8133f2103c15759cb8824e98926fd83b64a7ae3ce4e15d9a35ff9a3b7f3e5fc38260006d42509235a65a39dee63f112b682e21336e561d0ea94 SHA512 4a2dd2fd2daec029e83b4ba9f7de4540a0b963842a0ccb3e4dbea66e4b6b30a28a7db1be4a17ffc0d0b5fdc241af32a80cfa7836b7d88f3d81c26ccb9ec04044
+EBUILD gromacs-2020.6.ebuild 10145 BLAKE2B 46db22597e4887bac67371d8ae340e5b707b0f6803ea9ad50148d254236266138f2ac53eef66301471933358e97bce72195dbe3772736d87676d90ff2d10e7be SHA512 fe0f1ebf7f5e96c3177858a36ac73e8e887536e570554885b47116be82703680940c5a4f0b3d571b665c776804a93351482c00bc6c13e6f691d5a9b5664db555
+EBUILD gromacs-2021.2.ebuild 10367 BLAKE2B 12d73f2b0e4412fba3bca6c55fef02f098d376094d045090b67201d776893d2709908113936bae8211f27c2d5231f86265c2e16018363b17e1d1aef5879e3253 SHA512 45255fe4eacec5caeb29696cb513b6c5c9a820e6d52bd543bdf89483e6a0d3710189403b7842e4af6ebaec14cb6a47b23130cc6dafa563740462382cff8d954e
+EBUILD gromacs-2021.9999.ebuild 10277 BLAKE2B cb9936b80f4c3beb1cb2572318a878a120d2038a31d258868aa0d1318c1acf6e8cd3a01fe9e00e6129f69d79773464755ca3301a0ae87bd3429c97c8f36e46b9 SHA512 7bbb314d7c4bb6469f1ea7245dc3a925adce3ebd582908f3f62a60b294558726374fa3bfd46620d4d5c6032d124b9af00d5faa84d546f77791db572cf599d634
+EBUILD gromacs-9999.ebuild 10277 BLAKE2B cb9936b80f4c3beb1cb2572318a878a120d2038a31d258868aa0d1318c1acf6e8cd3a01fe9e00e6129f69d79773464755ca3301a0ae87bd3429c97c8f36e46b9 SHA512 7bbb314d7c4bb6469f1ea7245dc3a925adce3ebd582908f3f62a60b294558726374fa3bfd46620d4d5c6032d124b9af00d5faa84d546f77791db572cf599d634
 MISC metadata.xml 1223 BLAKE2B 9e48794b267cdb031dcc680ecce38c0d9727c2706d95a0a52d3502d4aa73d245db419a77823d10c5022d65628390b2fd476e489ec764cdd1721c9dd8295a8232 SHA512 d9320e5896bd32e892a9be573da92943236d0cf912f3417b823a415c5470ad9e37a934eafcede6ab7487197854c515ef81270e44c8503540b14dc13356beb3de
diff --git a/sci-chemistry/gromacs/gromacs-2020.4.ebuild b/sci-chemistry/gromacs/gromacs-2020.4.ebuild
index 266941a81e30..4a9027a2d180 100644
--- a/sci-chemistry/gromacs/gromacs-2020.4.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2020.4.ebuild
@@ -74,7 +74,7 @@ RDEPEND="${CDEPEND}"
 
 REQUIRED_USE="
 	|| ( single-precision double-precision )
-	|| ( doc build-manual )
+	doc? ( !build-manual )
 	cuda? ( single-precision )
 	cuda? ( !opencl )
 	mkl? ( !blas !fftw !lapack )
@@ -317,7 +317,9 @@ src_install() {
 		fi
 
 		if use doc; then
-			newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
+			if [[ ${PV} != *9999* ]]; then
+				newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
+			fi
 		fi
 
 		use mpi || continue
diff --git a/sci-chemistry/gromacs/gromacs-2020.5.ebuild b/sci-chemistry/gromacs/gromacs-2020.5.ebuild
deleted file mode 100644
index 41ac7771497c..000000000000
--- a/sci-chemistry/gromacs/gromacs-2020.5.ebuild
+++ /dev/null
@@ -1,351 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-PYTHON_COMPAT=( python3_{7,8,9} )
-
-DISTUTILS_USE_SETUPTOOLS=no
-DISTUTILS_SINGLE_IMPL=1
-
-inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils
-
-if [[ ${PV} = *9999* ]]; then
-	EGIT_REPO_URI="
-		https://gitlab.com/gromacs/gromacs.git
-		https://github.com/gromacs/gromacs.git
-		git://git.gromacs.org/gromacs.git"
-	[[ ${PV} = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}"
-	inherit git-r3
-else
-	SRC_URI="
-		http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz
-		doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf )
-		test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
-	KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos"
-fi
-
-ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2"
-
-DESCRIPTION="The ultimate molecular dynamics simulation package"
-HOMEPAGE="http://www.gromacs.org/"
-
-# see COPYING for details
-# https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING
-#        base,    vmd plugins, fftpack from numpy,  blas/lapck from netlib,        memtestG80 library,  mpi_thread lib
-LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
-SLOT="0/${PV}"
-IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}"
-
-CDEPEND="
-	X? (
-		x11-libs/libX11
-		x11-libs/libSM
-		x11-libs/libICE
-		)
-	blas? ( virtual/blas )
-	cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 )
-	opencl? ( virtual/opencl )
-	fftw? ( sci-libs/fftw:3.0 )
-	hwloc? ( sys-apps/hwloc )
-	lapack? ( virtual/lapack )
-	lmfit? ( sci-libs/lmfit )
-	mkl? ( sci-libs/mkl )
-	mpi? ( virtual/mpi )
-	${PYTHON_DEPS}
-	!sci-chemistry/gmxapi
-	"
-BDEPEND="${CDEPEND}
-	virtual/pkgconfig
-	build-manual? (
-		app-doc/doxygen
-		$(python_gen_cond_dep '
-			dev-python/sphinx[${PYTHON_MULTI_USEDEP}]
-		')
-		media-gfx/mscgen
-		media-gfx/graphviz
-		dev-texlive/texlive-latex
-		dev-texlive/texlive-latexextra
-		media-gfx/imagemagick
-	)"
-RDEPEND="${CDEPEND}"
-
-REQUIRED_USE="
-	|| ( single-precision double-precision )
-	|| ( doc build-manual )
-	cuda? ( single-precision )
-	cuda? ( !opencl )
-	mkl? ( !blas !fftw !lapack )
-	${PYTHON_REQUIRED_USE}"
-
-DOCS=( AUTHORS README )
-
-RESTRICT="!test? ( test )"
-
-if [[ ${PV} != *9999 ]]; then
-	S="${WORKDIR}/${PN}-${PV/_/-}"
-fi
-
-PATCHES=( "${FILESDIR}/${PN}-2020-pytest.patch" )
-
-pkg_pretend() {
-	[[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
-	use openmp && ! tc-has-openmp && \
-		die "Please switch to an openmp compatible compiler"
-}
-
-pkg_setup() {
-	python-single-r1_pkg_setup
-}
-
-src_unpack() {
-	if [[ ${PV} != *9999 ]]; then
-		default
-	else
-		git-r3_src_unpack
-		if use test; then
-			EGIT_REPO_URI="git://git.gromacs.org/regressiontests.git" \
-			EGIT_BRANCH="${EGIT_BRANCH}" \
-			EGIT_CHECKOUT_DIR="${WORKDIR}/regressiontests"\
-				git-r3_src_unpack
-		fi
-	fi
-}
-
-src_prepare() {
-	#notes/todos
-	# -on apple: there is framework support
-
-	xdg_environment_reset #591952
-
-	cmake_src_prepare
-
-	use cuda && cuda_src_prepare
-
-	GMX_DIRS=""
-	use single-precision && GMX_DIRS+=" float"
-	use double-precision && GMX_DIRS+=" double"
-
-	if use test; then
-		for x in ${GMX_DIRS}; do
-			mkdir -p "${WORKDIR}/${P}_${x}" || die
-			cp -al "${WORKDIR}/regressiontests"* "${WORKDIR}/${P}_${x}/tests" || die
-		done
-	fi
-
-	DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats"
-	if use build-manual; then
-		# try to create policy for imagemagik
-		mkdir -p ${HOME}/.config/ImageMagick
-		cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
-		<?xml version="1.0" encoding="UTF-8"?>
-		<!DOCTYPE policymap [
-		<!ELEMENT policymap (policy)+>
-		!ATTLIST policymap xmlns CDATA #FIXED ''>
-		<!ELEMENT policy EMPTY>
-		<!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
-			name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED
-			stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
-		]>
-		<policymap>
-			<policy domain="coder" rights="read | write" pattern="PS" />
-			<policy domain="coder" rights="read | write" pattern="PS2" />
-			<policy domain="coder" rights="read | write" pattern="PS3" />
-			<policy domain="coder" rights="read | write" pattern="EPS" />
-			<policy domain="coder" rights="read | write" pattern="PDF" />
-			<policy domain="coder" rights="read | write" pattern="XPS" />
-		</policymap>
-		EOF
-	fi
-}
-
-src_configure() {
-	local mycmakeargs_pre=( ) extra fft_opts=( )
-
-	if use custom-cflags; then
-		#go from slowest to fastest acceleration
-		local acce="None"
-		use cpu_flags_x86_sse2 && acce="SSE2"
-		use cpu_flags_x86_sse4_1 && acce="SSE4.1"
-		use cpu_flags_x86_fma4 && acce="AVX_128_FMA"
-		use cpu_flags_x86_avx && acce="AVX_256"
-		use cpu_flags_x86_avx2 && acce="AVX2_256"
-	else
-		strip-flags
-	fi
-
-	#to create man pages, build tree binaries are executed (bug #398437)
-	[[ ${CHOST} = *-darwin* ]] && \
-		extra+=" -DCMAKE_BUILD_WITH_INSTALL_RPATH=OFF"
-
-	if use fftw; then
-		fft_opts=( -DGMX_FFT_LIBRARY=fftw3 )
-	elif use mkl && has_version "=sci-libs/mkl-10*"; then
-		fft_opts=( -DGMX_FFT_LIBRARY=mkl
-			-DMKL_INCLUDE_DIR="${MKLROOT}/include"
-			-DMKL_LIBRARIES="$(echo /opt/intel/mkl/10.0.5.025/lib/*/libmkl.so);$(echo /opt/intel/mkl/10.0.5.025/lib/*/libiomp*.so)"
-		)
-	elif use mkl; then
-		local bits=$(get_libdir)
-		fft_opts=( -DGMX_FFT_LIBRARY=mkl
-			-DMKL_INCLUDE_DIR="$(echo /opt/intel/*/mkl/include)"
-			-DMKL_LIBRARIES="$(echo /opt/intel/*/mkl/lib/*${bits/lib}/libmkl_rt.so)"
-		)
-	else
-		fft_opts=( -DGMX_FFT_LIBRARY=fftpack )
-	fi
-
-	if use lmfit; then
-		local lmfit_opts=( -DGMX_USE_LMFIT=EXTERNAL )
-	else
-		local lmfit_opts=( -DGMX_USE_LMFIT=INTERNAL )
-	fi
-
-	mycmakeargs_pre+=(
-		"${fft_opts[@]}"
-		"${lmfit_opts[@]}"
-		-DGMX_X11=$(usex X)
-		-DGMX_EXTERNAL_BLAS=$(usex blas)
-		-DGMX_EXTERNAL_LAPACK=$(usex lapack)
-		-DGMX_OPENMP=$(usex openmp)
-		-DGMX_COOL_QUOTES=$(usex offensive)
-		-DGMX_USE_TNG=$(usex tng)
-		-DGMX_BUILD_MANUAL=$(usex build-manual)
-		-DGMX_HWLOC=$(usex hwloc)
-		-DGMX_DEFAULT_SUFFIX=off
-		-DGMX_SIMD="$acce"
-		-DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/"
-		-DBUILD_TESTING=$(usex test)
-		-DGMX_BUILD_UNITTESTS=$(usex test)
-		-DPYTHON_EXECUTABLE="${EPREFIX}/usr/bin/${EPYTHON}"
-		${extra}
-	)
-
-	for x in ${GMX_DIRS}; do
-		einfo "Configuring for ${x} precision"
-		local suffix=""
-		#if we build single and double - double is suffixed
-		use double-precision && use single-precision && \
-			[[ ${x} = "double" ]] && suffix="_d"
-		local p
-		[[ ${x} = "double" ]] && p="-DGMX_DOUBLE=ON" || p="-DGMX_DOUBLE=OFF"
-		local cuda=( "-DGMX_GPU=OFF" )
-		[[ ${x} = "float" ]] && use cuda && \
-			cuda=( "-DGMX_GPU=ON" )
-		local opencl=( "-DGMX_USE_OPENCL=OFF" )
-		use opencl && opencl=( "-DGMX_USE_OPENCL=ON" ) cuda=( "-DGMX_GPU=ON" )
-		mycmakeargs=(
-			${mycmakeargs_pre[@]} ${p}
-			-DGMX_MPI=OFF
-			-DGMX_THREAD_MPI=$(usex threads)
-			-DGMXAPI=$(usex gmxapi)
-			-DGMX_INSTALL_LEGACY_API=$(usex gmxapi-legacy)
-			"${opencl[@]}"
-			"${cuda[@]}"
-			"$(use test && echo -DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")"
-			-DGMX_BINARY_SUFFIX="${suffix}"
-			-DGMX_LIBS_SUFFIX="${suffix}"
-			-DGMX_PYTHON_PACKAGE=$(usex python)
-			)
-		BUILD_DIR="${WORKDIR}/${P}_${x}" cmake_src_configure
-		[[ ${CHOST} != *-darwin* ]] || \
-		  sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}/gentoo_rules.cmake" || die
-		use mpi || continue
-		einfo "Configuring for ${x} precision with mpi"
-		mycmakeargs=(
-			${mycmakeargs_pre[@]} ${p}
-			-DGMX_THREAD_MPI=OFF
-			-DGMX_MPI=ON
-			-DGMX_OPENMM=OFF
-			-DGMXAPI=OFF
-			"${opencl[@]}"
-			"${cuda[@]}"
-			-DGMX_BUILD_MDRUN_ONLY=ON
-			-DBUILD_SHARED_LIBS=OFF
-			-DGMX_BUILD_MANUAL=OFF
-			-DGMX_BINARY_SUFFIX="_mpi${suffix}"
-			-DGMX_LIBS_SUFFIX="_mpi${suffix}"
-			)
-		BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" CC="mpicc" cmake_src_configure
-		[[ ${CHOST} != *-darwin* ]] || \
-		  sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}_mpi/gentoo_rules.cmake" || die
-	done
-}
-
-src_compile() {
-	for x in ${GMX_DIRS}; do
-		einfo "Compiling for ${x} precision"
-		BUILD_DIR="${WORKDIR}/${P}_${x}"\
-			cmake_src_compile
-		if use python; then
-			BUILD_DIR="${WORKDIR}/${P}_${x}"\
-				cmake_src_compile	python_packaging/all
-			BUILD_DIR="${WORKDIR}/${P}" \
-				distutils-r1_src_compile
-		fi
-		# not 100% necessary for rel ebuilds as available from website
-		if use build-manual; then
-			BUILD_DIR="${WORKDIR}/${P}_${x}"\
-				cmake_src_compile manual
-		fi
-		use mpi || continue
-		einfo "Compiling for ${x} precision with mpi"
-		BUILD_DIR="${WORKDIR}/${P}_${x}_mpi"\
-			cmake_src_compile
-	done
-}
-
-src_test() {
-	for x in ${GMX_DIRS}; do
-		BUILD_DIR="${WORKDIR}/${P}_${x}"\
-			cmake_src_compile check
-	done
-}
-
-src_install() {
-	for x in ${GMX_DIRS}; do
-		BUILD_DIR="${WORKDIR}/${P}_${x}" \
-			cmake_src_install
-		if use python; then
-			BUILD_DIR="${WORKDIR}/${P}_${x}" \
-				cmake_src_install	python_packaging/install
-		fi
-		if use build-manual; then
-			newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf"
-		fi
-
-		if use doc; then
-			newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
-		fi
-
-		use mpi || continue
-		BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \
-			cmake_src_install
-	done
-
-	if use tng; then
-		insinto /usr/include/tng
-		doins src/external/tng_io/include/tng/*h
-	fi
-	# drop unneeded stuff
-	rm "${ED}"/usr/bin/GMXRC* || die
-	for x in "${ED}"/usr/bin/gmx-completion-*.bash ; do
-		local n=${x##*/gmx-completion-}
-		n="${n%.bash}"
-		cat "${ED}"/usr/bin/gmx-completion.bash "$x" > "${T}/${n}" || die
-		newbashcomp "${T}"/"${n}" "${n}"
-	done
-	rm "${ED}"/usr/bin/gmx-completion*.bash || die
-	readme.gentoo_create_doc
-}
-
-pkg_postinst() {
-	einfo
-	einfo  "Please read and cite:"
-	einfo  "Gromacs 4, J. Chem. Theory Comput. 4, 435 (2008). "
-	einfo  "https://dx.doi.org/10.1021/ct700301q"
-	einfo
-	readme.gentoo_print_elog
-}
diff --git a/sci-chemistry/gromacs/gromacs-2020.6.ebuild b/sci-chemistry/gromacs/gromacs-2020.6.ebuild
index 41ac7771497c..0e2baeb3b302 100644
--- a/sci-chemistry/gromacs/gromacs-2020.6.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2020.6.ebuild
@@ -74,7 +74,7 @@ RDEPEND="${CDEPEND}"
 
 REQUIRED_USE="
 	|| ( single-precision double-precision )
-	|| ( doc build-manual )
+	doc? ( !build-manual )
 	cuda? ( single-precision )
 	cuda? ( !opencl )
 	mkl? ( !blas !fftw !lapack )
@@ -317,7 +317,9 @@ src_install() {
 		fi
 
 		if use doc; then
-			newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
+			if [[ ${PV} != *9999* ]]; then
+				newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
+			fi
 		fi
 
 		use mpi || continue
diff --git a/sci-chemistry/gromacs/gromacs-2020.9999.ebuild b/sci-chemistry/gromacs/gromacs-2020.9999.ebuild
deleted file mode 100644
index 41ac7771497c..000000000000
--- a/sci-chemistry/gromacs/gromacs-2020.9999.ebuild
+++ /dev/null
@@ -1,351 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-PYTHON_COMPAT=( python3_{7,8,9} )
-
-DISTUTILS_USE_SETUPTOOLS=no
-DISTUTILS_SINGLE_IMPL=1
-
-inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils
-
-if [[ ${PV} = *9999* ]]; then
-	EGIT_REPO_URI="
-		https://gitlab.com/gromacs/gromacs.git
-		https://github.com/gromacs/gromacs.git
-		git://git.gromacs.org/gromacs.git"
-	[[ ${PV} = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}"
-	inherit git-r3
-else
-	SRC_URI="
-		http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz
-		doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf )
-		test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
-	KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos"
-fi
-
-ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2"
-
-DESCRIPTION="The ultimate molecular dynamics simulation package"
-HOMEPAGE="http://www.gromacs.org/"
-
-# see COPYING for details
-# https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING
-#        base,    vmd plugins, fftpack from numpy,  blas/lapck from netlib,        memtestG80 library,  mpi_thread lib
-LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
-SLOT="0/${PV}"
-IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}"
-
-CDEPEND="
-	X? (
-		x11-libs/libX11
-		x11-libs/libSM
-		x11-libs/libICE
-		)
-	blas? ( virtual/blas )
-	cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 )
-	opencl? ( virtual/opencl )
-	fftw? ( sci-libs/fftw:3.0 )
-	hwloc? ( sys-apps/hwloc )
-	lapack? ( virtual/lapack )
-	lmfit? ( sci-libs/lmfit )
-	mkl? ( sci-libs/mkl )
-	mpi? ( virtual/mpi )
-	${PYTHON_DEPS}
-	!sci-chemistry/gmxapi
-	"
-BDEPEND="${CDEPEND}
-	virtual/pkgconfig
-	build-manual? (
-		app-doc/doxygen
-		$(python_gen_cond_dep '
-			dev-python/sphinx[${PYTHON_MULTI_USEDEP}]
-		')
-		media-gfx/mscgen
-		media-gfx/graphviz
-		dev-texlive/texlive-latex
-		dev-texlive/texlive-latexextra
-		media-gfx/imagemagick
-	)"
-RDEPEND="${CDEPEND}"
-
-REQUIRED_USE="
-	|| ( single-precision double-precision )
-	|| ( doc build-manual )
-	cuda? ( single-precision )
-	cuda? ( !opencl )
-	mkl? ( !blas !fftw !lapack )
-	${PYTHON_REQUIRED_USE}"
-
-DOCS=( AUTHORS README )
-
-RESTRICT="!test? ( test )"
-
-if [[ ${PV} != *9999 ]]; then
-	S="${WORKDIR}/${PN}-${PV/_/-}"
-fi
-
-PATCHES=( "${FILESDIR}/${PN}-2020-pytest.patch" )
-
-pkg_pretend() {
-	[[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
-	use openmp && ! tc-has-openmp && \
-		die "Please switch to an openmp compatible compiler"
-}
-
-pkg_setup() {
-	python-single-r1_pkg_setup
-}
-
-src_unpack() {
-	if [[ ${PV} != *9999 ]]; then
-		default
-	else
-		git-r3_src_unpack
-		if use test; then
-			EGIT_REPO_URI="git://git.gromacs.org/regressiontests.git" \
-			EGIT_BRANCH="${EGIT_BRANCH}" \
-			EGIT_CHECKOUT_DIR="${WORKDIR}/regressiontests"\
-				git-r3_src_unpack
-		fi
-	fi
-}
-
-src_prepare() {
-	#notes/todos
-	# -on apple: there is framework support
-
-	xdg_environment_reset #591952
-
-	cmake_src_prepare
-
-	use cuda && cuda_src_prepare
-
-	GMX_DIRS=""
-	use single-precision && GMX_DIRS+=" float"
-	use double-precision && GMX_DIRS+=" double"
-
-	if use test; then
-		for x in ${GMX_DIRS}; do
-			mkdir -p "${WORKDIR}/${P}_${x}" || die
-			cp -al "${WORKDIR}/regressiontests"* "${WORKDIR}/${P}_${x}/tests" || die
-		done
-	fi
-
-	DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats"
-	if use build-manual; then
-		# try to create policy for imagemagik
-		mkdir -p ${HOME}/.config/ImageMagick
-		cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
-		<?xml version="1.0" encoding="UTF-8"?>
-		<!DOCTYPE policymap [
-		<!ELEMENT policymap (policy)+>
-		!ATTLIST policymap xmlns CDATA #FIXED ''>
-		<!ELEMENT policy EMPTY>
-		<!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
-			name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED
-			stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
-		]>
-		<policymap>
-			<policy domain="coder" rights="read | write" pattern="PS" />
-			<policy domain="coder" rights="read | write" pattern="PS2" />
-			<policy domain="coder" rights="read | write" pattern="PS3" />
-			<policy domain="coder" rights="read | write" pattern="EPS" />
-			<policy domain="coder" rights="read | write" pattern="PDF" />
-			<policy domain="coder" rights="read | write" pattern="XPS" />
-		</policymap>
-		EOF
-	fi
-}
-
-src_configure() {
-	local mycmakeargs_pre=( ) extra fft_opts=( )
-
-	if use custom-cflags; then
-		#go from slowest to fastest acceleration
-		local acce="None"
-		use cpu_flags_x86_sse2 && acce="SSE2"
-		use cpu_flags_x86_sse4_1 && acce="SSE4.1"
-		use cpu_flags_x86_fma4 && acce="AVX_128_FMA"
-		use cpu_flags_x86_avx && acce="AVX_256"
-		use cpu_flags_x86_avx2 && acce="AVX2_256"
-	else
-		strip-flags
-	fi
-
-	#to create man pages, build tree binaries are executed (bug #398437)
-	[[ ${CHOST} = *-darwin* ]] && \
-		extra+=" -DCMAKE_BUILD_WITH_INSTALL_RPATH=OFF"
-
-	if use fftw; then
-		fft_opts=( -DGMX_FFT_LIBRARY=fftw3 )
-	elif use mkl && has_version "=sci-libs/mkl-10*"; then
-		fft_opts=( -DGMX_FFT_LIBRARY=mkl
-			-DMKL_INCLUDE_DIR="${MKLROOT}/include"
-			-DMKL_LIBRARIES="$(echo /opt/intel/mkl/10.0.5.025/lib/*/libmkl.so);$(echo /opt/intel/mkl/10.0.5.025/lib/*/libiomp*.so)"
-		)
-	elif use mkl; then
-		local bits=$(get_libdir)
-		fft_opts=( -DGMX_FFT_LIBRARY=mkl
-			-DMKL_INCLUDE_DIR="$(echo /opt/intel/*/mkl/include)"
-			-DMKL_LIBRARIES="$(echo /opt/intel/*/mkl/lib/*${bits/lib}/libmkl_rt.so)"
-		)
-	else
-		fft_opts=( -DGMX_FFT_LIBRARY=fftpack )
-	fi
-
-	if use lmfit; then
-		local lmfit_opts=( -DGMX_USE_LMFIT=EXTERNAL )
-	else
-		local lmfit_opts=( -DGMX_USE_LMFIT=INTERNAL )
-	fi
-
-	mycmakeargs_pre+=(
-		"${fft_opts[@]}"
-		"${lmfit_opts[@]}"
-		-DGMX_X11=$(usex X)
-		-DGMX_EXTERNAL_BLAS=$(usex blas)
-		-DGMX_EXTERNAL_LAPACK=$(usex lapack)
-		-DGMX_OPENMP=$(usex openmp)
-		-DGMX_COOL_QUOTES=$(usex offensive)
-		-DGMX_USE_TNG=$(usex tng)
-		-DGMX_BUILD_MANUAL=$(usex build-manual)
-		-DGMX_HWLOC=$(usex hwloc)
-		-DGMX_DEFAULT_SUFFIX=off
-		-DGMX_SIMD="$acce"
-		-DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/"
-		-DBUILD_TESTING=$(usex test)
-		-DGMX_BUILD_UNITTESTS=$(usex test)
-		-DPYTHON_EXECUTABLE="${EPREFIX}/usr/bin/${EPYTHON}"
-		${extra}
-	)
-
-	for x in ${GMX_DIRS}; do
-		einfo "Configuring for ${x} precision"
-		local suffix=""
-		#if we build single and double - double is suffixed
-		use double-precision && use single-precision && \
-			[[ ${x} = "double" ]] && suffix="_d"
-		local p
-		[[ ${x} = "double" ]] && p="-DGMX_DOUBLE=ON" || p="-DGMX_DOUBLE=OFF"
-		local cuda=( "-DGMX_GPU=OFF" )
-		[[ ${x} = "float" ]] && use cuda && \
-			cuda=( "-DGMX_GPU=ON" )
-		local opencl=( "-DGMX_USE_OPENCL=OFF" )
-		use opencl && opencl=( "-DGMX_USE_OPENCL=ON" ) cuda=( "-DGMX_GPU=ON" )
-		mycmakeargs=(
-			${mycmakeargs_pre[@]} ${p}
-			-DGMX_MPI=OFF
-			-DGMX_THREAD_MPI=$(usex threads)
-			-DGMXAPI=$(usex gmxapi)
-			-DGMX_INSTALL_LEGACY_API=$(usex gmxapi-legacy)
-			"${opencl[@]}"
-			"${cuda[@]}"
-			"$(use test && echo -DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")"
-			-DGMX_BINARY_SUFFIX="${suffix}"
-			-DGMX_LIBS_SUFFIX="${suffix}"
-			-DGMX_PYTHON_PACKAGE=$(usex python)
-			)
-		BUILD_DIR="${WORKDIR}/${P}_${x}" cmake_src_configure
-		[[ ${CHOST} != *-darwin* ]] || \
-		  sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}/gentoo_rules.cmake" || die
-		use mpi || continue
-		einfo "Configuring for ${x} precision with mpi"
-		mycmakeargs=(
-			${mycmakeargs_pre[@]} ${p}
-			-DGMX_THREAD_MPI=OFF
-			-DGMX_MPI=ON
-			-DGMX_OPENMM=OFF
-			-DGMXAPI=OFF
-			"${opencl[@]}"
-			"${cuda[@]}"
-			-DGMX_BUILD_MDRUN_ONLY=ON
-			-DBUILD_SHARED_LIBS=OFF
-			-DGMX_BUILD_MANUAL=OFF
-			-DGMX_BINARY_SUFFIX="_mpi${suffix}"
-			-DGMX_LIBS_SUFFIX="_mpi${suffix}"
-			)
-		BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" CC="mpicc" cmake_src_configure
-		[[ ${CHOST} != *-darwin* ]] || \
-		  sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}_mpi/gentoo_rules.cmake" || die
-	done
-}
-
-src_compile() {
-	for x in ${GMX_DIRS}; do
-		einfo "Compiling for ${x} precision"
-		BUILD_DIR="${WORKDIR}/${P}_${x}"\
-			cmake_src_compile
-		if use python; then
-			BUILD_DIR="${WORKDIR}/${P}_${x}"\
-				cmake_src_compile	python_packaging/all
-			BUILD_DIR="${WORKDIR}/${P}" \
-				distutils-r1_src_compile
-		fi
-		# not 100% necessary for rel ebuilds as available from website
-		if use build-manual; then
-			BUILD_DIR="${WORKDIR}/${P}_${x}"\
-				cmake_src_compile manual
-		fi
-		use mpi || continue
-		einfo "Compiling for ${x} precision with mpi"
-		BUILD_DIR="${WORKDIR}/${P}_${x}_mpi"\
-			cmake_src_compile
-	done
-}
-
-src_test() {
-	for x in ${GMX_DIRS}; do
-		BUILD_DIR="${WORKDIR}/${P}_${x}"\
-			cmake_src_compile check
-	done
-}
-
-src_install() {
-	for x in ${GMX_DIRS}; do
-		BUILD_DIR="${WORKDIR}/${P}_${x}" \
-			cmake_src_install
-		if use python; then
-			BUILD_DIR="${WORKDIR}/${P}_${x}" \
-				cmake_src_install	python_packaging/install
-		fi
-		if use build-manual; then
-			newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf"
-		fi
-
-		if use doc; then
-			newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
-		fi
-
-		use mpi || continue
-		BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \
-			cmake_src_install
-	done
-
-	if use tng; then
-		insinto /usr/include/tng
-		doins src/external/tng_io/include/tng/*h
-	fi
-	# drop unneeded stuff
-	rm "${ED}"/usr/bin/GMXRC* || die
-	for x in "${ED}"/usr/bin/gmx-completion-*.bash ; do
-		local n=${x##*/gmx-completion-}
-		n="${n%.bash}"
-		cat "${ED}"/usr/bin/gmx-completion.bash "$x" > "${T}/${n}" || die
-		newbashcomp "${T}"/"${n}" "${n}"
-	done
-	rm "${ED}"/usr/bin/gmx-completion*.bash || die
-	readme.gentoo_create_doc
-}
-
-pkg_postinst() {
-	einfo
-	einfo  "Please read and cite:"
-	einfo  "Gromacs 4, J. Chem. Theory Comput. 4, 435 (2008). "
-	einfo  "https://dx.doi.org/10.1021/ct700301q"
-	einfo
-	readme.gentoo_print_elog
-}
diff --git a/sci-chemistry/gromacs/gromacs-2021.1.ebuild b/sci-chemistry/gromacs/gromacs-2021.1.ebuild
deleted file mode 100644
index e8ea613693f0..000000000000
--- a/sci-chemistry/gromacs/gromacs-2021.1.ebuild
+++ /dev/null
@@ -1,358 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-PYTHON_COMPAT=( python3_{7,8,9} )
-
-DISTUTILS_USE_SETUPTOOLS=no
-DISTUTILS_SINGLE_IMPL=1
-
-inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils
-
-if [[ ${PV} = *9999* ]]; then
-	EGIT_REPO_URI="
-		https://gitlab.com/gromacs/gromacs.git
-		https://github.com/gromacs/gromacs.git
-		git://git.gromacs.org/gromacs.git"
-	[[ ${PV} = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}"
-	inherit git-r3
-else
-	SRC_URI="
-		http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz
-		doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf )
-		test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
-	KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos"
-fi
-
-ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon"
-
-DESCRIPTION="The ultimate molecular dynamics simulation package"
-HOMEPAGE="http://www.gromacs.org/"
-
-# see COPYING for details
-# https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING
-#        base,    vmd plugins, fftpack from numpy,  blas/lapck from netlib,        memtestG80 library,  mpi_thread lib
-LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
-SLOT="0/${PV}"
-IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}"
-
-CDEPEND="
-	X? (
-		x11-libs/libX11
-		x11-libs/libSM
-		x11-libs/libICE
-		)
-	blas? ( virtual/blas )
-	cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 )
-	opencl? ( virtual/opencl )
-	fftw? ( sci-libs/fftw:3.0 )
-	hwloc? ( sys-apps/hwloc )
-	lapack? ( virtual/lapack )
-	lmfit? ( sci-libs/lmfit )
-	mkl? ( sci-libs/mkl )
-	mpi? ( virtual/mpi )
-	${PYTHON_DEPS}
-	!sci-chemistry/gmxapi
-	"
-BDEPEND="${CDEPEND}
-	virtual/pkgconfig
-	build-manual? (
-		app-doc/doxygen
-		$(python_gen_cond_dep '
-			dev-python/sphinx[${PYTHON_MULTI_USEDEP}]
-		')
-		media-gfx/mscgen
-		media-gfx/graphviz
-		dev-texlive/texlive-latex
-		dev-texlive/texlive-latexextra
-		media-gfx/imagemagick
-	)"
-RDEPEND="${CDEPEND}"
-
-REQUIRED_USE="
-	|| ( single-precision double-precision )
-	|| ( doc build-manual )
-	cuda? ( single-precision )
-	cuda? ( !opencl )
-	mkl? ( !blas !fftw !lapack )
-	${PYTHON_REQUIRED_USE}"
-
-DOCS=( AUTHORS README )
-
-RESTRICT="!test? ( test )"
-
-if [[ ${PV} != *9999 ]]; then
-	S="${WORKDIR}/${PN}-${PV/_/-}"
-fi
-
-PATCHES=(
-	"${FILESDIR}/${PN}-2020-pytest.patch"
-	"${FILESDIR}/${PN}-2021-nblib.patch"
-)
-
-pkg_pretend() {
-	[[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
-	use openmp && ! tc-has-openmp && \
-		die "Please switch to an openmp compatible compiler"
-}
-
-pkg_setup() {
-	python-single-r1_pkg_setup
-}
-
-src_unpack() {
-	if [[ ${PV} != *9999 ]]; then
-		default
-	else
-		git-r3_src_unpack
-		if use test; then
-			EGIT_REPO_URI="git://git.gromacs.org/regressiontests.git" \
-			EGIT_BRANCH="${EGIT_BRANCH}" \
-			EGIT_CHECKOUT_DIR="${WORKDIR}/regressiontests"\
-				git-r3_src_unpack
-		fi
-	fi
-}
-
-src_prepare() {
-	#notes/todos
-	# -on apple: there is framework support
-
-	xdg_environment_reset #591952
-
-	cmake_src_prepare
-
-	use cuda && cuda_src_prepare
-
-	GMX_DIRS=""
-	use single-precision && GMX_DIRS+=" float"
-	use double-precision && GMX_DIRS+=" double"
-
-	if use test; then
-		for x in ${GMX_DIRS}; do
-			mkdir -p "${WORKDIR}/${P}_${x}" || die
-			cp -al "${WORKDIR}/regressiontests"* "${WORKDIR}/${P}_${x}/tests" || die
-		done
-	fi
-
-	DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats"
-	if use build-manual; then
-		# try to create policy for imagemagik
-		mkdir -p ${HOME}/.config/ImageMagick
-		cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
-		<?xml version="1.0" encoding="UTF-8"?>
-		<!DOCTYPE policymap [
-		<!ELEMENT policymap (policy)+>
-		!ATTLIST policymap xmlns CDATA #FIXED ''>
-		<!ELEMENT policy EMPTY>
-		<!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
-			name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED
-			stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
-		]>
-		<policymap>
-			<policy domain="coder" rights="read | write" pattern="PS" />
-			<policy domain="coder" rights="read | write" pattern="PS2" />
-			<policy domain="coder" rights="read | write" pattern="PS3" />
-			<policy domain="coder" rights="read | write" pattern="EPS" />
-			<policy domain="coder" rights="read | write" pattern="PDF" />
-			<policy domain="coder" rights="read | write" pattern="XPS" />
-		</policymap>
-		EOF
-	fi
-}
-
-src_configure() {
-	local mycmakeargs_pre=( ) extra fft_opts=( )
-
-	if use custom-cflags; then
-		#go from slowest to fastest acceleration
-		local acce="None"
-		if (use amd64 || use x86); then
-		use cpu_flags_x86_sse2 && acce="SSE2"
-		use cpu_flags_x86_sse4_1 && acce="SSE4.1"
-		use cpu_flags_x86_fma4 && acce="AVX_128_FMA"
-		use cpu_flags_x86_avx && acce="AVX_256"
-		use cpu_flags_x86_avx2 && acce="AVX2_256"
-		use cpu_flags_x86_avx512f && acce="AVX_512"
-		elif (use arm); then
-			use cpu_flags_arm_neon && acce="ARM_NEON"
-		elif (use arm64); then
-			use cpu_flags_arm_neon && acce="ARM_NEON_ASIMD"
-		fi
-	else
-		strip-flags
-	fi
-
-	#to create man pages, build tree binaries are executed (bug #398437)
-	[[ ${CHOST} = *-darwin* ]] && \
-		extra+=" -DCMAKE_BUILD_WITH_INSTALL_RPATH=OFF"
-
-	if use fftw; then
-		fft_opts=( -DGMX_FFT_LIBRARY=fftw3 )
-	elif use mkl && has_version "=sci-libs/mkl-10*"; then
-		fft_opts=( -DGMX_FFT_LIBRARY=mkl
-			-DMKL_INCLUDE_DIR="${MKLROOT}/include"
-			-DMKL_LIBRARIES="$(echo /opt/intel/mkl/10.0.5.025/lib/*/libmkl.so);$(echo /opt/intel/mkl/10.0.5.025/lib/*/libiomp*.so)"
-		)
-	elif use mkl; then
-		local bits=$(get_libdir)
-		fft_opts=( -DGMX_FFT_LIBRARY=mkl
-			-DMKL_INCLUDE_DIR="$(echo /opt/intel/*/mkl/include)"
-			-DMKL_LIBRARIES="$(echo /opt/intel/*/mkl/lib/*${bits/lib}/libmkl_rt.so)"
-		)
-	else
-		fft_opts=( -DGMX_FFT_LIBRARY=fftpack )
-	fi
-
-	if use lmfit; then
-		local lmfit_opts=( -DGMX_USE_LMFIT=EXTERNAL )
-	else
-		local lmfit_opts=( -DGMX_USE_LMFIT=INTERNAL )
-	fi
-
-	mycmakeargs_pre+=(
-		"${fft_opts[@]}"
-		"${lmfit_opts[@]}"
-		-DGMX_X11=$(usex X)
-		-DGMX_EXTERNAL_BLAS=$(usex blas)
-		-DGMX_EXTERNAL_LAPACK=$(usex lapack)
-		-DGMX_OPENMP=$(usex openmp)
-		-DGMX_COOL_QUOTES=$(usex offensive)
-		-DGMX_USE_TNG=$(usex tng)
-		-DGMX_BUILD_MANUAL=$(usex build-manual)
-		-DGMX_HWLOC=$(usex hwloc)
-		-DGMX_DEFAULT_SUFFIX=off
-		-DGMX_SIMD="$acce"
-		-DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/"
-		-DBUILD_TESTING=$(usex test)
-		-DGMX_BUILD_UNITTESTS=$(usex test)
-		-DPYTHON_EXECUTABLE="${EPREFIX}/usr/bin/${EPYTHON}"
-		${extra}
-	)
-
-	for x in ${GMX_DIRS}; do
-		einfo "Configuring for ${x} precision"
-		local suffix=""
-		#if we build single and double - double is suffixed
-		use double-precision && use single-precision && \
-			[[ ${x} = "double" ]] && suffix="_d"
-		local p
-		[[ ${x} = "double" ]] && p="-DGMX_DOUBLE=ON" || p="-DGMX_DOUBLE=OFF"
-		local gpu=( "-DGMX_GPU=OFF" )
-		[[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" )
-		use opencl && gpu=( "-DGMX_GPU=OPENCL" )
-		mycmakeargs=(
-			${mycmakeargs_pre[@]} ${p}
-			-DGMX_MPI=OFF
-			-DGMX_THREAD_MPI=$(usex threads)
-			-DGMXAPI=$(usex gmxapi)
-			-DGMX_INSTALL_LEGACY_API=$(usex gmxapi-legacy)
-			"${gpu[@]}"
-			"$(use test && echo -DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")"
-			-DGMX_BINARY_SUFFIX="${suffix}"
-			-DGMX_LIBS_SUFFIX="${suffix}"
-			-DGMX_PYTHON_PACKAGE=$(usex python)
-		)
-		BUILD_DIR="${WORKDIR}/${P}_${x}" cmake_src_configure
-		[[ ${CHOST} != *-darwin* ]] || \
-		  sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}/gentoo_rules.cmake" || die
-		use mpi || continue
-		einfo "Configuring for ${x} precision with mpi"
-		mycmakeargs=(
-			${mycmakeargs_pre[@]} ${p}
-			-DGMX_THREAD_MPI=OFF
-			-DGMX_MPI=ON
-			-DGMX_OPENMM=OFF
-			-DGMXAPI=OFF
-			"${opencl[@]}"
-			"${cuda[@]}"
-			-DGMX_BUILD_MDRUN_ONLY=ON
-			-DBUILD_SHARED_LIBS=OFF
-			-DGMX_BUILD_MANUAL=OFF
-			-DGMX_BINARY_SUFFIX="_mpi${suffix}"
-			-DGMX_LIBS_SUFFIX="_mpi${suffix}"
-			)
-		BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" CC="mpicc" cmake_src_configure
-		[[ ${CHOST} != *-darwin* ]] || \
-		  sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}_mpi/gentoo_rules.cmake" || die
-	done
-}
-
-src_compile() {
-	for x in ${GMX_DIRS}; do
-		einfo "Compiling for ${x} precision"
-		BUILD_DIR="${WORKDIR}/${P}_${x}"\
-			cmake_src_compile
-		if use python; then
-			BUILD_DIR="${WORKDIR}/${P}_${x}"\
-				cmake_src_compile	python_packaging/all
-			BUILD_DIR="${WORKDIR}/${P}" \
-				distutils-r1_src_compile
-		fi
-		# not 100% necessary for rel ebuilds as available from website
-		if use build-manual; then
-			BUILD_DIR="${WORKDIR}/${P}_${x}"\
-				cmake_src_compile manual
-		fi
-		use mpi || continue
-		einfo "Compiling for ${x} precision with mpi"
-		BUILD_DIR="${WORKDIR}/${P}_${x}_mpi"\
-			cmake_src_compile
-	done
-}
-
-src_test() {
-	for x in ${GMX_DIRS}; do
-		BUILD_DIR="${WORKDIR}/${P}_${x}"\
-			cmake_src_compile check
-	done
-}
-
-src_install() {
-	for x in ${GMX_DIRS}; do
-		BUILD_DIR="${WORKDIR}/${P}_${x}" \
-			cmake_src_install
-		if use python; then
-			BUILD_DIR="${WORKDIR}/${P}_${x}" \
-				cmake_src_install	python_packaging/install
-		fi
-		if use build-manual; then
-			newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf"
-		fi
-
-		if use doc; then
-			newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
-		fi
-
-		use mpi || continue
-		BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \
-			cmake_src_install
-	done
-
-	if use tng; then
-		insinto /usr/include/tng
-		doins src/external/tng_io/include/tng/*h
-	fi
-	# drop unneeded stuff
-	rm "${ED}"/usr/bin/GMXRC* || die
-	for x in "${ED}"/usr/bin/gmx-completion-*.bash ; do
-		local n=${x##*/gmx-completion-}
-		n="${n%.bash}"
-		cat "${ED}"/usr/bin/gmx-completion.bash "$x" > "${T}/${n}" || die
-		newbashcomp "${T}"/"${n}" "${n}"
-	done
-	rm "${ED}"/usr/bin/gmx-completion*.bash || die
-	readme.gentoo_create_doc
-}
-
-pkg_postinst() {
-	einfo
-	einfo  "Please read and cite:"
-	einfo  "Gromacs 4, J. Chem. Theory Comput. 4, 435 (2008). "
-	einfo  "https://dx.doi.org/10.1021/ct700301q"
-	einfo
-	readme.gentoo_print_elog
-}
diff --git a/sci-chemistry/gromacs/gromacs-2021.2.ebuild b/sci-chemistry/gromacs/gromacs-2021.2.ebuild
index 7b257ee4f40f..d3299c25bab8 100644
--- a/sci-chemistry/gromacs/gromacs-2021.2.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.2.ebuild
@@ -74,7 +74,7 @@ RDEPEND="${CDEPEND}"
 
 REQUIRED_USE="
 	|| ( single-precision double-precision )
-	|| ( doc build-manual )
+	doc? ( !build-manual )
 	cuda? ( single-precision )
 	cuda? ( !opencl )
 	mkl? ( !blas !fftw !lapack )
@@ -324,7 +324,9 @@ src_install() {
 		fi
 
 		if use doc; then
-			newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
+			if [[ ${PV} != *9999* ]]; then
+				newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
+			fi
 		fi
 
 		use mpi || continue
diff --git a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
index 16825937690a..40f115d6a10e 100644
--- a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
@@ -74,7 +74,7 @@ RDEPEND="${CDEPEND}"
 
 REQUIRED_USE="
 	|| ( single-precision double-precision )
-	|| ( doc build-manual )
+	doc? ( !build-manual )
 	cuda? ( single-precision )
 	cuda? ( !opencl )
 	mkl? ( !blas !fftw !lapack )
@@ -319,7 +319,9 @@ src_install() {
 		fi
 
 		if use doc; then
-			newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
+			if [[ ${PV} != *9999* ]]; then
+				newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
+			fi
 		fi
 
 		use mpi || continue
diff --git a/sci-chemistry/gromacs/gromacs-2021.ebuild b/sci-chemistry/gromacs/gromacs-2021.ebuild
deleted file mode 100644
index a4fdab0dfaf7..000000000000
--- a/sci-chemistry/gromacs/gromacs-2021.ebuild
+++ /dev/null
@@ -1,355 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-PYTHON_COMPAT=( python3_{7,8,9} )
-
-DISTUTILS_USE_SETUPTOOLS=no
-DISTUTILS_SINGLE_IMPL=1
-
-inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils
-
-if [[ ${PV} = *9999* ]]; then
-	EGIT_REPO_URI="
-		https://gitlab.com/gromacs/gromacs.git
-		https://github.com/gromacs/gromacs.git
-		git://git.gromacs.org/gromacs.git"
-	[[ ${PV} = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}"
-	inherit git-r3
-else
-	SRC_URI="
-		http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz
-		doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf )
-		test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
-	KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos"
-fi
-
-ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon"
-
-DESCRIPTION="The ultimate molecular dynamics simulation package"
-HOMEPAGE="http://www.gromacs.org/"
-
-# see COPYING for details
-# https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING
-#        base,    vmd plugins, fftpack from numpy,  blas/lapck from netlib,        memtestG80 library,  mpi_thread lib
-LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
-SLOT="0/${PV}"
-IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}"
-
-CDEPEND="
-	X? (
-		x11-libs/libX11
-		x11-libs/libSM
-		x11-libs/libICE
-		)
-	blas? ( virtual/blas )
-	cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 )
-	opencl? ( virtual/opencl )
-	fftw? ( sci-libs/fftw:3.0 )
-	hwloc? ( sys-apps/hwloc )
-	lapack? ( virtual/lapack )
-	lmfit? ( sci-libs/lmfit )
-	mkl? ( sci-libs/mkl )
-	mpi? ( virtual/mpi )
-	${PYTHON_DEPS}
-	!sci-chemistry/gmxapi
-	"
-BDEPEND="${CDEPEND}
-	virtual/pkgconfig
-	build-manual? (
-		app-doc/doxygen
-		$(python_gen_cond_dep '
-			dev-python/sphinx[${PYTHON_MULTI_USEDEP}]
-		')
-		media-gfx/mscgen
-		media-gfx/graphviz
-		dev-texlive/texlive-latex
-		dev-texlive/texlive-latexextra
-		media-gfx/imagemagick
-	)"
-RDEPEND="${CDEPEND}"
-
-REQUIRED_USE="
-	|| ( single-precision double-precision )
-	|| ( doc build-manual )
-	cuda? ( single-precision )
-	cuda? ( !opencl )
-	mkl? ( !blas !fftw !lapack )
-	${PYTHON_REQUIRED_USE}"
-
-DOCS=( AUTHORS README )
-
-RESTRICT="!test? ( test )"
-
-if [[ ${PV} != *9999 ]]; then
-	S="${WORKDIR}/${PN}-${PV/_/-}"
-fi
-
-PATCHES=( "${FILESDIR}/${PN}-2020-pytest.patch" )
-
-pkg_pretend() {
-	[[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
-	use openmp && ! tc-has-openmp && \
-		die "Please switch to an openmp compatible compiler"
-}
-
-pkg_setup() {
-	python-single-r1_pkg_setup
-}
-
-src_unpack() {
-	if [[ ${PV} != *9999 ]]; then
-		default
-	else
-		git-r3_src_unpack
-		if use test; then
-			EGIT_REPO_URI="git://git.gromacs.org/regressiontests.git" \
-			EGIT_BRANCH="${EGIT_BRANCH}" \
-			EGIT_CHECKOUT_DIR="${WORKDIR}/regressiontests"\
-				git-r3_src_unpack
-		fi
-	fi
-}
-
-src_prepare() {
-	#notes/todos
-	# -on apple: there is framework support
-
-	xdg_environment_reset #591952
-
-	cmake_src_prepare
-
-	use cuda && cuda_src_prepare
-
-	GMX_DIRS=""
-	use single-precision && GMX_DIRS+=" float"
-	use double-precision && GMX_DIRS+=" double"
-
-	if use test; then
-		for x in ${GMX_DIRS}; do
-			mkdir -p "${WORKDIR}/${P}_${x}" || die
-			cp -al "${WORKDIR}/regressiontests"* "${WORKDIR}/${P}_${x}/tests" || die
-		done
-	fi
-
-	DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats"
-	if use build-manual; then
-		# try to create policy for imagemagik
-		mkdir -p ${HOME}/.config/ImageMagick
-		cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
-		<?xml version="1.0" encoding="UTF-8"?>
-		<!DOCTYPE policymap [
-		<!ELEMENT policymap (policy)+>
-		!ATTLIST policymap xmlns CDATA #FIXED ''>
-		<!ELEMENT policy EMPTY>
-		<!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
-			name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED
-			stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
-		]>
-		<policymap>
-			<policy domain="coder" rights="read | write" pattern="PS" />
-			<policy domain="coder" rights="read | write" pattern="PS2" />
-			<policy domain="coder" rights="read | write" pattern="PS3" />
-			<policy domain="coder" rights="read | write" pattern="EPS" />
-			<policy domain="coder" rights="read | write" pattern="PDF" />
-			<policy domain="coder" rights="read | write" pattern="XPS" />
-		</policymap>
-		EOF
-	fi
-}
-
-src_configure() {
-	local mycmakeargs_pre=( ) extra fft_opts=( )
-
-	if use custom-cflags; then
-		#go from slowest to fastest acceleration
-		local acce="None"
-		if (use amd64 || use x86); then
-		use cpu_flags_x86_sse2 && acce="SSE2"
-		use cpu_flags_x86_sse4_1 && acce="SSE4.1"
-		use cpu_flags_x86_fma4 && acce="AVX_128_FMA"
-		use cpu_flags_x86_avx && acce="AVX_256"
-		use cpu_flags_x86_avx2 && acce="AVX2_256"
-		use cpu_flags_x86_avx512f && acce="AVX_512"
-		elif (use arm); then
-			use cpu_flags_arm_neon && acce="ARM_NEON"
-		elif (use arm64); then
-			use cpu_flags_arm_neon && acce="ARM_NEON_ASIMD"
-		fi
-	else
-		strip-flags
-	fi
-
-	#to create man pages, build tree binaries are executed (bug #398437)
-	[[ ${CHOST} = *-darwin* ]] && \
-		extra+=" -DCMAKE_BUILD_WITH_INSTALL_RPATH=OFF"
-
-	if use fftw; then
-		fft_opts=( -DGMX_FFT_LIBRARY=fftw3 )
-	elif use mkl && has_version "=sci-libs/mkl-10*"; then
-		fft_opts=( -DGMX_FFT_LIBRARY=mkl
-			-DMKL_INCLUDE_DIR="${MKLROOT}/include"
-			-DMKL_LIBRARIES="$(echo /opt/intel/mkl/10.0.5.025/lib/*/libmkl.so);$(echo /opt/intel/mkl/10.0.5.025/lib/*/libiomp*.so)"
-		)
-	elif use mkl; then
-		local bits=$(get_libdir)
-		fft_opts=( -DGMX_FFT_LIBRARY=mkl
-			-DMKL_INCLUDE_DIR="$(echo /opt/intel/*/mkl/include)"
-			-DMKL_LIBRARIES="$(echo /opt/intel/*/mkl/lib/*${bits/lib}/libmkl_rt.so)"
-		)
-	else
-		fft_opts=( -DGMX_FFT_LIBRARY=fftpack )
-	fi
-
-	if use lmfit; then
-		local lmfit_opts=( -DGMX_USE_LMFIT=EXTERNAL )
-	else
-		local lmfit_opts=( -DGMX_USE_LMFIT=INTERNAL )
-	fi
-
-	mycmakeargs_pre+=(
-		"${fft_opts[@]}"
-		"${lmfit_opts[@]}"
-		-DGMX_X11=$(usex X)
-		-DGMX_EXTERNAL_BLAS=$(usex blas)
-		-DGMX_EXTERNAL_LAPACK=$(usex lapack)
-		-DGMX_OPENMP=$(usex openmp)
-		-DGMX_COOL_QUOTES=$(usex offensive)
-		-DGMX_USE_TNG=$(usex tng)
-		-DGMX_BUILD_MANUAL=$(usex build-manual)
-		-DGMX_HWLOC=$(usex hwloc)
-		-DGMX_DEFAULT_SUFFIX=off
-		-DGMX_SIMD="$acce"
-		-DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/"
-		-DBUILD_TESTING=$(usex test)
-		-DGMX_BUILD_UNITTESTS=$(usex test)
-		-DPYTHON_EXECUTABLE="${EPREFIX}/usr/bin/${EPYTHON}"
-		${extra}
-	)
-
-	for x in ${GMX_DIRS}; do
-		einfo "Configuring for ${x} precision"
-		local suffix=""
-		#if we build single and double - double is suffixed
-		use double-precision && use single-precision && \
-			[[ ${x} = "double" ]] && suffix="_d"
-		local p
-		[[ ${x} = "double" ]] && p="-DGMX_DOUBLE=ON" || p="-DGMX_DOUBLE=OFF"
-		local gpu=( "-DGMX_GPU=OFF" )
-		[[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" )
-		use opencl && gpu=( "-DGMX_GPU=OPENCL" )
-		mycmakeargs=(
-			${mycmakeargs_pre[@]} ${p}
-			-DGMX_MPI=OFF
-			-DGMX_THREAD_MPI=$(usex threads)
-			-DGMXAPI=$(usex gmxapi)
-			-DGMX_INSTALL_LEGACY_API=$(usex gmxapi-legacy)
-			"${gpu[@]}"
-			"$(use test && echo -DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")"
-			-DGMX_BINARY_SUFFIX="${suffix}"
-			-DGMX_LIBS_SUFFIX="${suffix}"
-			-DGMX_PYTHON_PACKAGE=$(usex python)
-		)
-		BUILD_DIR="${WORKDIR}/${P}_${x}" cmake_src_configure
-		[[ ${CHOST} != *-darwin* ]] || \
-		  sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}/gentoo_rules.cmake" || die
-		use mpi || continue
-		einfo "Configuring for ${x} precision with mpi"
-		mycmakeargs=(
-			${mycmakeargs_pre[@]} ${p}
-			-DGMX_THREAD_MPI=OFF
-			-DGMX_MPI=ON
-			-DGMX_OPENMM=OFF
-			-DGMXAPI=OFF
-			"${opencl[@]}"
-			"${cuda[@]}"
-			-DGMX_BUILD_MDRUN_ONLY=ON
-			-DBUILD_SHARED_LIBS=OFF
-			-DGMX_BUILD_MANUAL=OFF
-			-DGMX_BINARY_SUFFIX="_mpi${suffix}"
-			-DGMX_LIBS_SUFFIX="_mpi${suffix}"
-			)
-		BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" CC="mpicc" cmake_src_configure
-		[[ ${CHOST} != *-darwin* ]] || \
-		  sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}_mpi/gentoo_rules.cmake" || die
-	done
-}
-
-src_compile() {
-	for x in ${GMX_DIRS}; do
-		einfo "Compiling for ${x} precision"
-		BUILD_DIR="${WORKDIR}/${P}_${x}"\
-			cmake_src_compile
-		if use python; then
-			BUILD_DIR="${WORKDIR}/${P}_${x}"\
-				cmake_src_compile	python_packaging/all
-			BUILD_DIR="${WORKDIR}/${P}" \
-				distutils-r1_src_compile
-		fi
-		# not 100% necessary for rel ebuilds as available from website
-		if use build-manual; then
-			BUILD_DIR="${WORKDIR}/${P}_${x}"\
-				cmake_src_compile manual
-		fi
-		use mpi || continue
-		einfo "Compiling for ${x} precision with mpi"
-		BUILD_DIR="${WORKDIR}/${P}_${x}_mpi"\
-			cmake_src_compile
-	done
-}
-
-src_test() {
-	for x in ${GMX_DIRS}; do
-		BUILD_DIR="${WORKDIR}/${P}_${x}"\
-			cmake_src_compile check
-	done
-}
-
-src_install() {
-	for x in ${GMX_DIRS}; do
-		BUILD_DIR="${WORKDIR}/${P}_${x}" \
-			cmake_src_install
-		if use python; then
-			BUILD_DIR="${WORKDIR}/${P}_${x}" \
-				cmake_src_install	python_packaging/install
-		fi
-		if use build-manual; then
-			newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf"
-		fi
-
-		if use doc; then
-			newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
-		fi
-
-		use mpi || continue
-		BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \
-			cmake_src_install
-	done
-
-	if use tng; then
-		insinto /usr/include/tng
-		doins src/external/tng_io/include/tng/*h
-	fi
-	# drop unneeded stuff
-	rm "${ED}"/usr/bin/GMXRC* || die
-	for x in "${ED}"/usr/bin/gmx-completion-*.bash ; do
-		local n=${x##*/gmx-completion-}
-		n="${n%.bash}"
-		cat "${ED}"/usr/bin/gmx-completion.bash "$x" > "${T}/${n}" || die
-		newbashcomp "${T}"/"${n}" "${n}"
-	done
-	rm "${ED}"/usr/bin/gmx-completion*.bash || die
-	readme.gentoo_create_doc
-}
-
-pkg_postinst() {
-	einfo
-	einfo  "Please read and cite:"
-	einfo  "Gromacs 4, J. Chem. Theory Comput. 4, 435 (2008). "
-	einfo  "https://dx.doi.org/10.1021/ct700301q"
-	einfo
-	readme.gentoo_print_elog
-}
diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild
index 19c3097b599b..40f115d6a10e 100644
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
@@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja"
 
 PYTHON_COMPAT=( python3_{7,8,9} )
 
+DISTUTILS_USE_SETUPTOOLS=no
 DISTUTILS_SINGLE_IMPL=1
 
 inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils
@@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then
 else
 	SRC_URI="
 		http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz
+		doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf )
 		test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
 	KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos"
 fi
@@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/"
 #        base,    vmd plugins, fftpack from numpy,  blas/lapck from netlib,        memtestG80 library,  mpi_thread lib
 LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
 SLOT="0/${PV}"
-IUSE="X blas cuda +custom-cflags +doc double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}"
+IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}"
 
 CDEPEND="
 	X? (
@@ -57,7 +59,7 @@ CDEPEND="
 	"
 BDEPEND="${CDEPEND}
 	virtual/pkgconfig
-	doc? (
+	build-manual? (
 		app-doc/doxygen
 		$(python_gen_cond_dep '
 			dev-python/sphinx[${PYTHON_MULTI_USEDEP}]
@@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}"
 
 REQUIRED_USE="
 	|| ( single-precision double-precision )
+	doc? ( !build-manual )
 	cuda? ( single-precision )
 	cuda? ( !opencl )
 	mkl? ( !blas !fftw !lapack )
@@ -131,28 +134,29 @@ src_prepare() {
 	fi
 
 	DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats"
-
-	# try to create policy for imagemagik
-	mkdir -p ${HOME}/.config/ImageMagick
-	cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
-	<?xml version="1.0" encoding="UTF-8"?>
-	<!DOCTYPE policymap [
-	<!ELEMENT policymap (policy)+>
-	!ATTLIST policymap xmlns CDATA #FIXED ''>
-	<!ELEMENT policy EMPTY>
-	<!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
+	if use build-manual; then
+		# try to create policy for imagemagik
+		mkdir -p ${HOME}/.config/ImageMagick
+		cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
+		<?xml version="1.0" encoding="UTF-8"?>
+		<!DOCTYPE policymap [
+		<!ELEMENT policymap (policy)+>
+		!ATTLIST policymap xmlns CDATA #FIXED ''>
+		<!ELEMENT policy EMPTY>
+		<!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
 			name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED
 			stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
-	]>
-	<policymap>
-		<policy domain="coder" rights="read | write" pattern="PS" />
-		<policy domain="coder" rights="read | write" pattern="PS2" />
-		<policy domain="coder" rights="read | write" pattern="PS3" />
-		<policy domain="coder" rights="read | write" pattern="EPS" />
-		<policy domain="coder" rights="read | write" pattern="PDF" />
-		<policy domain="coder" rights="read | write" pattern="XPS" />
-	</policymap>
-	EOF
+		]>
+		<policymap>
+			<policy domain="coder" rights="read | write" pattern="PS" />
+			<policy domain="coder" rights="read | write" pattern="PS2" />
+			<policy domain="coder" rights="read | write" pattern="PS3" />
+			<policy domain="coder" rights="read | write" pattern="EPS" />
+			<policy domain="coder" rights="read | write" pattern="PDF" />
+			<policy domain="coder" rights="read | write" pattern="XPS" />
+		</policymap>
+		EOF
+	fi
 }
 
 src_configure() {
@@ -213,7 +217,7 @@ src_configure() {
 		-DGMX_OPENMP=$(usex openmp)
 		-DGMX_COOL_QUOTES=$(usex offensive)
 		-DGMX_USE_TNG=$(usex tng)
-		-DGMX_BUILD_MANUAL=$(usex doc)
+		-DGMX_BUILD_MANUAL=$(usex build-manual)
 		-DGMX_HWLOC=$(usex hwloc)
 		-DGMX_DEFAULT_SUFFIX=off
 		-DGMX_SIMD="$acce"
@@ -284,7 +288,7 @@ src_compile() {
 				distutils-r1_src_compile
 		fi
 		# not 100% necessary for rel ebuilds as available from website
-		if use doc; then
+		if use build-manual; then
 			BUILD_DIR="${WORKDIR}/${P}_${x}"\
 				cmake_src_compile manual
 		fi
@@ -310,9 +314,16 @@ src_install() {
 			BUILD_DIR="${WORKDIR}/${P}_${x}" \
 				cmake_src_install	python_packaging/install
 		fi
-		if use doc; then
+		if use build-manual; then
 			newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf"
 		fi
+
+		if use doc; then
+			if [[ ${PV} != *9999* ]]; then
+				newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
+			fi
+		fi
+
 		use mpi || continue
 		BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \
 			cmake_src_install
diff --git a/sci-chemistry/tinker/Manifest b/sci-chemistry/tinker/Manifest
index 58eab1647163..eca4b084cf5a 100644
--- a/sci-chemistry/tinker/Manifest
+++ b/sci-chemistry/tinker/Manifest
@@ -1,4 +1,4 @@
 AUX 8.2.1-openmp.patch 559 BLAKE2B 254a7b5d5d40bec938420527ad77e4ec96b9cee50392137eab3370df35a00a00b9488b5cd95c4e3c52d4904a6093216a782f52c82c2141cd913c6cf10f2fbcc7 SHA512 799b488ddba95ec75c2f5f97bdba10e297cad12d23239354b7d66af47b4e9ef1496e8f6b8a7446f85827a8303105af7552616bc865a4e8114b89d3e6e3302ed6
 DIST tinker-8.2.1.tar.gz 33015410 BLAKE2B 0b7c94662248761459cf9d681056f5cf9c4d669a790a522f23f800bf355235f6a9f392e008b13d14cf1e17d9725abb6512077c24ff7772108d69c9cf35b43e6e SHA512 5039078781d1ce226456882dd95ad15715f1e91829d26efcdb29ceedc213973883699eb6710b0a162a74208809305b7fee734b175139e6df63d0460fe5751ae7
-EBUILD tinker-8.2.1.ebuild 2257 BLAKE2B 3464309efba4ec65effc9fa9c8fbab167116844f51f0101a22b9b964c610458f5daa5324d21affd93880bdd9c00a2b805bc09b1de80cff5dc2f17f45181ebd51 SHA512 51d5cd018b4146e6b68540dc7ec50a5f84c3f4ee2fa71c23417fc0a5005a847cd347d3d2223cdd6366e0a058a03a43ea5d2d1d12dacd7156c3f9f5ea93b01d37
+EBUILD tinker-8.2.1.ebuild 2269 BLAKE2B 81d02427bcbf41fe29eca4f9384b59a4be911acfed3ac7881cf1b96f1dac86aaaaa7412820d82807db2a5bc28c1b775b3097f7f5dfe9d1cdc175e39fc4f0a323 SHA512 cdbf3912bc1b45da9e2c84b1edda74b6dc1e80b922bf7dc5201e51c0bc3a42c142720c9c23128b4622c853cde38f396295dea96e24a40b797dae430b8a1191c9
 MISC metadata.xml 265 BLAKE2B d5a98b9309829a0486c4b8a4336c2d24a0fe34e926d52afd0cc87e16fcc887ca4c18851e58afb33866823121fa8f221a90e0d726dbd85552a4caf66cf03b7b4a SHA512 470f6c178e88c4e83afa46d5e901a45fc2427a779ae832df7fa2d6e25e9e8b4ce77cd3a8fe191e6242d6df3b673f0de6b4f90f1e147aa8b8dd566f18163cc73a
diff --git a/sci-chemistry/tinker/tinker-8.2.1.ebuild b/sci-chemistry/tinker/tinker-8.2.1.ebuild
index d181dee95c44..bef87a09bfaa 100644
--- a/sci-chemistry/tinker/tinker-8.2.1.ebuild
+++ b/sci-chemistry/tinker/tinker-8.2.1.ebuild
@@ -14,10 +14,6 @@ LICENSE="Tinker"
 KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
 IUSE="examples"
 
-DEPEND="
-	>=virtual/jdk-1.6
-	virtual/pkgconfig
-"
 RDEPEND="
 	>=sci-libs/fftw-3.2.2-r1[fortran,threads]
 	dev-libs/maloc
@@ -25,6 +21,11 @@ RDEPEND="
 	!dev-util/diffuse
 	>=virtual/jre-1.6
 "
+DEPEND="
+	${RDEPEND}
+	>=virtual/jdk-1.6
+	virtual/pkgconfig
+"
 
 RESTRICT="mirror"